Skip to content

@chembl Chemical Biology Services @ EMBL-EBI

Change the repository type filter

All

    Repositories list

    64 repositories

    • GLaDOS-docs

      Public
      Repository for storing the source files of the new interface documentation. https://chembl.gitbook.io/chembl-interface-documentation/
      4•9•1•1•Updated Jul 24, 2026Jul 24, 2026

    • FPSim2

      Public
      Simple package for fast molecular similarity searches
      pythonchemistrycheminformatics
      pythonchemistrycheminformaticsgpusimilarity-search
      Python
      •
      MIT License
      •24•177•2•1•Updated Jul 16, 2026Jul 16, 2026

    • chembl_multitask_model

      Public
      Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
      machine-learningchemistrycheminformatics
      machine-learningchemistrycheminformatics
      Python
      •
      MIT License
      •11•22•1•0•Updated Jun 24, 2026Jun 24, 2026

    • chemical_probes_lit

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Jun 16, 2026Jun 16, 2026

    • chembl_latest_pmid

      Public
      A useful script to find the most recent publication inserted in ChEMBL using the NCBI API and chembl_downloader
      Python
      •0•0•0•0•Updated Jun 9, 2026Jun 9, 2026

    • maip_public

      Public
      Public repository of the MAIP model
      Python
      •
      MIT License
      •0•0•0•0•Updated Jun 2, 2026Jun 2, 2026

    • presentations

      Public
      Public repository sharing the public presentations (talks, posters, articles etc) produced by the Chemical Biology Services
      1•2•0•0•Updated May 12, 2026May 12, 2026

    • chembl_webresource_client

      Public
      Official Python client for accessing ChEMBL API
      pythonrestchemistry
      pythonrestchemistrycheminformaticschemoinformaticsrest-clientchembl
      Python
      •
      Other
      •105•449•26•3•Updated Mar 24, 2026Mar 24, 2026

    • ChEMBL_Structure_Pipeline

      Public
      ChEMBL database structure pipelines
      Python
      •
      MIT License
      •43•246•6•3•Updated Nov 24, 2025Nov 24, 2025

    • libRDChEBI

      Public
      Python
      •
      MIT License
      •2•0•2•0•Updated Oct 2, 2025Oct 2, 2025

    • compound_target_pairs_dataset

      Public
      Automatic extraction of interacting compound-target pairs from ChEMBL.
      pythonchemistrycheminformatics
      pythonchemistrycheminformaticsdatasetchemoinformaticschembldrug-targetsdrug-target-interactions
      Python
      •
      Apache License 2.0
      •1•22•0•0•Updated Sep 23, 2025Sep 23, 2025

    • EnsembleFlex

      Public
      EnsembleFlex - Flexibility Analysis of Structure Ensembles
      Python
      •
      MIT License
      •0•19•0•0•Updated Sep 10, 2025Sep 10, 2025

    • cbl_migrator

      Public
      Migrates Oracle DBs to PostgreSQL, MySQL and SQLite
      Python
      •
      MIT License
      •2•7•0•0•Updated Sep 6, 2025Sep 6, 2025

    • tractability_pipeline_v2

      Public
      Pipeline for assessing the tractability of potential targets (starting from Gene IDs)
      Python
      •
      MIT License
      •9•30•1•3•Updated Feb 9, 2025Feb 9, 2025

    • potsim2

      Public
      PotSim2: Simple package to segment and compare protein potential grids
      Python
      •
      MIT License
      •1•2•0•0•Updated Jan 15, 2025Jan 15, 2025

    • surechembl-data-client

      Public archive
      A collection of scripts for retrieving, storing, and querying SureChEMBL data.
      surechembl
      surechembl
      Python
      •
      MIT License
      •18•42•6•5•Updated Jul 11, 2024Jul 11, 2024

    • ChEMBL_NTD-Markdown

      Public
      Markdown files for the new ChEMBL_NTD page: https://chembl.gitbook.io/chembl-ntd/
      4•4•0•0•Updated Jun 13, 2024Jun 13, 2024

    • chembl_beaker

      Public archive
      RDKit wrapper
      Python
      •
      Other
      •23•50•1•1•Updated Apr 9, 2024Apr 9, 2024

    • chembl_webservices_py3

      Public archive
      ChEMBL Web Services in Python 3
      Python
      •
      Apache License 2.0
      •4•4•3•1•Updated Feb 7, 2024Feb 7, 2024

    • ChEMBL-Loader-Documentation

      Public
      A repository for the ChEMBL loader documentation as shown in gitbook. (https://chembl.gitbook.io/chembl-loader/)
      2•3•0•0•Updated Nov 8, 2023Nov 8, 2023

    • surechembl-issues

      Public archive
      Public issue report repository for SureChEMBL
      0•1•4•0•Updated Sep 25, 2023Sep 25, 2023

    • chemistry_service

      Public archive
      Python
      •0•1•0•0•Updated Mar 23, 2023Mar 23, 2023

    • idg_patents_paper

      Public
      Perl
      •
      Apache License 2.0
      •0•1•1•0•Updated Feb 23, 2023Feb 23, 2023

    • chembl_ws_2_es

      Public archive
      Tools to migrate from ChEMBL web services to Elastic Search
      Python
      •
      Apache License 2.0
      •1•1•0•4•Updated Dec 8, 2022Dec 8, 2022

    • of_conformal

      Public
      OpenFaaS function re-implementing https://doi.org/10.1186/s13321-018-0325-4 with LightGBM
      Python
      •
      Creative Commons Attribution 4.0 International
      •3•8•2•0•Updated Jan 18, 2022Jan 18, 2022

    • training_notebooks

      Public
      notebook repository
      Jupyter Notebook
      •5•13•0•0•Updated Jan 17, 2022Jan 17, 2022

    • chembl_core_db

      Public archive
      Python
      •
      Other
      •3•4•1•1•Updated Jun 10, 2021Jun 10, 2021

    • sachem_elchem

      Public archive
      Sachem Elchem plugin for elasticsearch
      C
      •1•3•0•0•Updated Jul 7, 2020Jul 7, 2020

    • mmv_train_image

      Public
      Python
      •3•2•0•0•Updated May 13, 2020May 13, 2020

    • structure_pipeline_binder

      Public archive
      Jupyter Notebook
      •1•2•0•0•Updated Feb 24, 2020Feb 24, 2020
    ProTip! When viewing an organization's repositories, you can use the props. filter to filter by custom property.